Structure Database (LMSD)

Common Name
(E)-3-Nonen-1-ol
Systematic Name
(3E)-non-3-en-1-ol
Synonyms
LM ID
LMFA05000559
Formula
C9H18O
Exact Mass
Calculate m/z
142.135765
Sum Composition
FOH 9:1
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Classification

Category
Main Class
Sub Class
Fatty Acyls [FA]
Fatty alcohols [FA05]

Reactions

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ⓘ Reactions are shown if the E.C. number of the enzyme catalysing it is annotated in the UniProt database for a species belonging to the selected taxonomic class.
Click on an edge to display the reaction(s).
Reactions graph legend

String Representations

InChiKey (Click to copy)
IFTBJDZSLBRRMC-VOTSOKGWSA-N
InChi (Click to copy)
InChI=1S/C9H18O/c1-2-3-4-5-6-7-8-9-10/h6-7,10H,2-5,8-9H2,1H3/b7-6+
SMILES (Click to copy)
C(/CCO)=C\CCCCC

Other Databases

HMDB ID
HMDB0041601
CHEBI ID
168946
PubChem CID
5352807

Calculated Physicochemical Properties

Heavy Atoms 10
Rings 0
Aromatic Rings 0
Rotatable Bonds 6
Van der Waals Molecular Volume 170.41
Topological Polar Surface Area 20.23
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 1
logP 2.79
Molar Refractivity 45.47

Admin

Created at
-
Updated at
25th Apr 2022